Ring polymer molecular dynamics
<p>This thesis presents the ring polymer molecular dynamics (RPMD) approximation to the Kubo-transformed time correlation function and shows how it may be used as the basis of an approximate quantum-mechanical method for determining the dynamical properties of condensed-phase molecular system...
| Главные авторы: | , |
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| Формат: | Диссертация |
| Язык: | English |
| Опубликовано: |
2006
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